2PA6

Crystal structure of MJ0232 from Methanococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-02-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 4
Unit cell lengths	148.783, 148.783, 91.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.880 - 1.850
R-factor	0.17
Rwork	0.170
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oep
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.078	0.529
Number of reflections	85037
<I/σ(I)>	15.4	4.8
Completeness [%]	100.0	100
Redundancy	9.5	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	291	0.1M Sodium Acetate, 8% PEG4000, pH4.6, MICROBATCH, temperature 291K