3FBR

structure of HipA-amppnp-peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Detector technology	IMAGE PLATE
Collection date	2007-01-03
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	I 4 2 2
Unit cell lengths	128.400, 128.400, 203.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.900 - 3.500
R-factor	0.282
Rwork	0.282
R-free	0.33600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dnt
RMSD bond length	0.015
RMSD bond angle	2.200
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	33.900
High resolution limit [Å]	3.500
Rmerge	0.126
Number of reflections	9966
<I/σ(I)>	7.4
Completeness [%]	89.0
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K