2EJC

Crystal Structure Of Pantoate--Beta-Alanine Ligase (panC) From Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-01-22
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	85.182, 85.182, 90.372
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.530 - 2.400
R-factor	0.211
Rwork	0.211
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v8f
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.530	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.077	0.437
Number of reflections	15225
<I/σ(I)>	11.6	3.1
Completeness [%]	99.8	99.9
Redundancy	5.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	295	9w/v(%) PEG 8000, 0.1M Cacodylate, 0.2M zinc acetate, pH 6.5, microbatch, temperature 295K