6AP8

Crystal Structure of rice D14 bound to 2-(2-methyl-3-nitroanilino)benzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	48.005, 88.433, 119.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.520 - 1.270
R-factor	0.121
Rwork	0.119
R-free	0.15420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w04
RMSD bond length	0.020
RMSD bond angle	1.958
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.010	48.010	1.290
High resolution limit [Å]	1.270	6.960	1.270
Rmerge	0.154	0.040	1.992
Rmeas	0.159	0.042	2.066
Rpim	0.042	0.012	0.543
Number of reflections	134179	958	6569
<I/σ(I)>	12
Completeness [%]	100.0	99.8	100
Redundancy	14.5	13.1	14.3
CC(1/2)	0.999	0.998	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	HEPES 0.1M, MPD 5%, PEG 6000 8%