3NIB

Teg14 Apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-09-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	112.194, 112.194, 74.807
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.786 - 2.700
R-factor	0.1975
Rwork	0.196
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Teg12 ternary pdb code 3MGB
RMSD bond length	0.004
RMSD bond angle	0.805
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.073	0.494
Number of reflections	13977
<I/σ(I)>	14.6	2.49
Completeness [%]	95.8	93.1
Redundancy	2.7	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	295	Crystallized at 20mg/ml using JCSG solution core II number 3 (1.0 M sodium citrate, 0.1 M CHES, pH 9.5) as the precipitant. Drop was a 1:1 mixture of protein and crystallization solution. Reservoir volume was 500 ul. Crystals appeared overnight, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K